CID 30079530
PubChem CID
30079530
Structure
Molecular Formula
Status
Non-live
Molecular Weight
254.78 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-chloro-2-(4-propylpiperazin-4-ium-1-yl)aniline
InChI=1S/C13H20ClN3/c1-2-6-16-7-9-17(10-8-16)13-11(14)4-3-5-12(13)15/h3-5H,2,6-10,15H2,1H3/p+1
PFGSVKGIBSFHBG-UHFFFAOYSA-O
CCC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)N
C13H21ClN3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
254.78 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
254.1424004 g/mol
Property Name
Monoisotopic Mass
Property Value
254.1424004 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.7 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
229
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS